6-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-(2-methylallylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-(2-methylprop-2-enylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-(2-methylallylthio)-1H-pyrimidine-5-carbonitrile Formula: C15H12ClN3OS MolecularWeight: 317.79328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(=C)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H12ClN3OS/c1-9(2)8-21-15-18-13(12(7-17)14(20)19-15)10-3-5-11(16)6-4-10/h3-6H,1,8H2,2H3,(H,18,19,20)